Theoretical Studies of Structures and Mechanisms in Organometallic and Bioinorganic Chemistry: Heck Reaction with Palladium Phosphines, Active Sites of Superoxide Reductase and Cytochrome P450 Monooxygenase, and Tetrairon Hexathiolate Hydrogenase Model

Theoretical Studies of Structures and Mechanisms in Organometallic and Bioinorganic Chemistry: Heck Reaction with Palladium Phosphines, Active Sites of Superoxide Reductase and Cytochrome P450 Monooxygenase, and Tetrairon Hexathiolate Hydrogenase Model

The electronic structures and reaction mechanisms of transition-metal complexes can be calculated accurately by density functional theory (DFT) in cooperation with the continuum solvation model. The palladium catalyzed Heck reaction, iron-model complexes for cytochrome P450 and superoxide reductase...

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Bibliographic Details
Main Author: Surawatanawong, Panida
Other Authors: Hall, Michael B.
Format: Others
Language:English
Published: 2010
Subjects:
Palladium
Heck reaction
Superoxide Reductase
Cytochrome P450
Hydrogenase
Density Functional Theory
Online Access:http://hdl.handle.net/1969.1/ETD-TAMU-2009-05-283

Internet

http://hdl.handle.net/1969.1/ETD-TAMU-2009-05-283

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